Geometry & MOs

Info

ID:	27351
PubChem CID:	820868
Reduced:	ClNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	238.134423
ΔH_f, kcal/mol:	-164.14
Dipole, Da:	4.83
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,6-dimethyl-2-(pyridin-1-ium-1-ylmethyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC(=CC=C2)Cl)C(=O)OC)C)C

DOS

IR

Vibrations